3-(4-Fluorophenyl)-1-(1-methylethyl)-1H-indole

Basic Information

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CAS Number

93957-49-4

Molecular Formula

C17H16FN

Molecular Weight

253.32 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

95.0 to 99.0 deg-C

Boiling Point

389.6°C at 760 mmHg

Flash Point

189.4℃

SMILES

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CC(C)N1C=C(C2=CC=CC=C21)C3=CC=C(C=C3)F

InChI

InChI=1S/C17H16FN/c1-12(2)19-11-16(13-7-9-14(18)10-8-13)15-5-3-4-6-17(15)19/h3-12H,1-2H3

InChIKey

ZDZJOIIBECYKAJ-UHFFFAOYSA-N

LogP

5.028300000000004

Topological Polar Surface Area

4.93 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

296

Safety Information

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GHS Hazard Pictograms

H413

Hazard Statement

H413 May cause long lasting harmful effects to aquatic life
Hazardous to the aquatic environment, long-term hazard

Synonyms & References

English

3-(4-Fluorophenyl)-1-isopropyl-1H-indole
N-isopropyl-3-(4-fluorophenyl)-1H-indole
3-(4-Fluorophenyl)-1-(1-methylethyl)-1H-indole
Fluvastatin sodium intermediate F1
3-(4-Fluorophenyl)-1-Isopropylindole
(4-FLUOROPHENYL)-1-ISOPROPYL-3-INDOLE
1-Isopropyl-3-(4-fluorophenyl)indole
3-(4-fluorophenyl)-1-propan-2-ylindole
1-Isopropyl-3-(4-flrorophenyl)-indole
1H-Indole, 3-(4-fluorophenyl)-1-(1-methylethyl)-
81O8547A4Z
AK109159
3-(4-fluorophenyl)-1-propan-2-yl-indole
3-(4-fluorophenyl)-1-(methylethyl)indole
PubChem7300
3-(4-Fluo
3-(4-Fluorophenyl)-1-(1-methylethyl)-1H-indole (ACI)
AC-5332
MFCD01075733
3-(4-Fluorophenyl)-1-(1-Methylethyl)-1H-Indole
SB67360
3-(4-Fluoro Phenyl)-1-(1-Methylethyl)-Indole
EN300-1663273
93957-49-4
A845159
SY014295
1-ISOPROPYL-3-(4-FLUOROPHENYL)INDOLE
C17H16FN
SCHEMBL1878132
DTXSID00239939
DTXCID00162430

MDL Number

MFCD01075733

FAQ

What regulatory guidelines apply to 3-(4-Fluorophenyl)-1-(1-methylethyl)-1H-indole (CAS: 93957-49-4)?

3-(4-Fluorophenyl)-1-(1-methylethyl)-1H-indole (CAS: 93957-49-4) falls under the scope of the Chemicals Regulation Directive (CRD) in the EU, which requires registration with the European Chemicals Agency (ECHA). It must comply with REACH regulations, which involve safety data sheets (SDS) and labeling for hazardous materials. In the United States, it is regulated by the FDA under the Toxic Substances Control Act (TSCA) and by the EPA under the Resource Conservation and Recovery Act (RCRA) for waste management.

Are there alternatives to 3-(4-Fluorophenyl)-1-(1-methylethyl)-1H-indole (CAS: 93957-49-4) in synthesis?

Alternative reagents to 3-(4-Fluorophenyl)-1-(1-methylethyl)-1H-indole (CAS: 93957-49-4) include various indoles and derivatives with different substituents. Researchers often explore isomers or analogs such as 3-(4-chlorophenyl)-1-(1-methylethyl)-1H-indole and 3-(3-fluorophenyl)-1-(1-methylethyl)-1H-indole. These alternatives can serve as effective substitutes in various synthetic pathways depending on the desired properties and end-use applications.

What is the market or research trend for 3-(4-Fluorophenyl)-1-(1-methylethyl)-1H-indole (CAS: 93957-49-4)?

The market for 3-(4-Fluorophenyl)-1-(1-methylethyl)-1H-indole (CAS: 93957-49-4) is growing due to its applications in pharmaceuticals and agrochemicals. Recent research trends focus on its use as a key intermediate in drug synthesis and as a potential herbicide. Market trends indicate increasing demand, driven by advancements in drug discovery and crop protection strategies, with ongoing studies exploring its biological activities and environmental impacts.

How should waste containing 3-(4-Fluorophenyl)-1-(1-methylethyl)-1H-indole (CAS: 93957-49-4) be handled?

Waste containing 3-(4-Fluorophenyl)-1-(1-methylethyl)-1H-indole (CAS: 93957-49-4) should be collected in appropriate containers and labeled as hazardous waste. Proper disposal methods include incineration or professional waste disposal services. Environmental protection precautions include ensuring no spillage into waterways and following local regulations for waste disposal. It is essential to consult the Material Safety Data Sheet (MSDS) and local environmental protection guidelines for specific handling procedures.